SCHEMBL1623937

SCHEMBL1623937

Cc1ccc2c(N3CCN(C(=O)OC4CCOC4)CC3CO)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
CHEK2 O96017 2/20 0.36
ADAM10 O14672 2/20 0.34
MMP2 P08253 1/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
SOS1 Q07889 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMAD3 P84022 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACVR1 Q04771 1/20 0.32
MTOR P42345 1/20 0.32
MAP3K5 Q99683 1/20 0.32
PIK3CD O00329 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1623933 1.00 GPR119 (0.37) GPR119CHEK2ADAM10MMP2MAPT
SCHEMBL12720942 1.00 GPR119 (0.37) GPR119CHEK2ADAM10MMP2MAPT
SCHEMBL12721181 0.86 MEN1 (0.46) CHEK2ADAM10MMP2MAPTL3MBTL1
SCHEMBL12721180 0.86 MEN1 (0.46) CHEK2ADAM10MMP2MAPTL3MBTL1
SCHEMBL1623696 0.85 CHEK2 (0.41) CHEK2ADAM10MMP2MAPTL3MBTL1
SCHEMBL1623699 0.85 CHEK2 (0.41) CHEK2ADAM10MMP2MAPTL3MBTL1
SCHEMBL1623697 0.85 CHEK2 (0.41) CHEK2ADAM10MMP2MAPTL3MBTL1
SCHEMBL1621492 0.84 CHEK2 (0.39) CHEK2MAPTL3MBTL1HTTHIF1A
SCHEMBL27694129 0.84 KMT2A (0.42) CHEK2MAPTL3MBTL1HTTHIF1A
SCHEMBL1623453 0.83 MAPT (0.40) CHEK2MAPTL3MBTL1HTTHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 GPR119 1830/4885CHEK2 2935/4885ADAM10 3070/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 GPR119 1830/4885CHEK2 2935/4885ADAM10 3070/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.